[58] | Macroscopic Fracture Properties of Glassy Nanocomposites from Molecular Dynamics Simulations and Empirical Force Fields (Delasoudas, I., Kallivokas, S. V. and Kostopoulos, V.), In The Journal of Physical Chemistry B, 2025. |
[57] | Logarithmic Separable Solutions of Force-Free Magnetic Fields in Plane-Parallel and Axial Symmetry (Gourgouliatos, Konstantinos N.), In Symmetry, volume 17, 2025. |
[56] | Interfacial failure in epoxy/CNT nanocomposites from molecular origins: Kinetic concepts, local failure and molecular simulations (Iakovos Delasoudas, Spyros V. Kallivokas and Vassilis Kostopoulos), In Polymer, 2024. |
[55] | Fracture of Epoxy Networks Using Atomistic Simulations (Delasoudas, Iakovos, Kallivokas, Spyros V. and Kostopoulos, Vassilis), In The Journal of Physical Chemistry B, volume 128, 2024. |
[54] | The effect of functional groups on the glass transition temperature of atmospheric organic compounds: a molecular dynamics study (Siachouli Panagiota, Karadima Katerina, Stavros Mavrantzas, Vlasis George, Pandis Spyros), In Soft Matter, Royal Society of Chemistry, volume 20, 2024. |
[53] | Revisiting thermoelectric effects in the crust of neutron stars (Gakis, Dionysios and Gourgouliatos, Konstantinos N.), In A&A, volume 690, 2024. |
[52] | A New Solution of the Pulsar Equation (Contopoulos, Ioannis, Dimitropoulos, Ioannis, Ntotsikas, Dimitris and Gourgouliatos, Konstantinos N.), In Universe, volume 10, 2024. |
[51] | Geometric Analysis of Free and Accessible Volume in Atmospheric Nanoparticles (Mermigkis, Panagiotis G., Karadima, Katerina S., Pandis, Spyros N. and Mavrantzas, Vlasis G.), In ACS Omega, volume 8, 2023. |
[50] | Large-Eddy Simulation of Wave Attenuation and Breaking on a Beach with Coastal Vegetation Modelled as Porous Medium (Chalmoukis Iason A., Leftheriotis Georgios A., Dimas Athanassios A.), In Journal of Marine Science and Engineering, volume 11, 2023. |
[49] | Morphodynamics of vortex ripple creation under constant and changing oscillatory flow conditions (Georgios A. Leftheriotis, Athanassios A. Dimas), In Coastal Engineering, volume 177, 2022. |
[48] | Numerical Model of Wave-induced Coastal Hydrodynamic and Morphodynamic Processes (Georgios Leftheriotis), In The 31st International Ocean and Polar Engineering Conference, ISOPE, 2021. |
[47] | Individual Contributions of Adsorbed and Free Chains to Microscopic Dynamics of Unentangled poly(ethylene Glycol)/Silica Nanocomposite Melts and the Important Role of End Groups: Theory and Simulation (Skountzos, Emmanuel N., Tsalikis, Dimitrios G., Stephanou, Pavlos S. and Mavrantzas, Vlasis G.), In Macromolecules, volume 54, 2021. |
[46] | Computational insights on the molecular mechanisms across breast cancer progression combining gene differential expression and co-expression (Ikonomakis, Emmanouil K., Bourdakou, Marilena M., Kolios, George, Vrahatis, Michael N. and Spyrou, George M.), In 2021 IEEE EMBS International Conference on Biomedical and Health Informatics (BHI), 2021. |
[45] | Standardization and Validation of Brachytherapy Seeds’ Modelling Using GATE and GGEMS Monte Carlo Toolkits (Chatzipapas, Konstantinos P., Plachouris, Dimitris, Papadimitroulas, Panagiotis, Mountris, Konstantinos A., Bert, Julien, Visvikis, Dimitris, Mihailidis, Dimitris and Kagadis, George C.), In Cancers, volume 13, 2021. |
[44] | A Hybrid Parallel Numerical Model for Wave-Induced Free-Surface Flow (Georgios Leftheriotis, Iason Chalmoukis, Guillermo Oyarzun, Athanassios Dimas), In Fluids, volume 6, 2021. |
[43] | Structure and Dynamics of Highly Attractive Polymer Nanocomposites in the Semi-Dilute Regime: The Role of Interfacial Domains and Bridging Chains (Skountzos, Emmanuel N., Karadima, Katerina S. and Mavrantzas, Vlasis G.), In Polymers, volume 13, 2021. |
[42] | A GPU-based algorithm for efficient LES of high Reynolds number flows in heterogeneous CPU/GPU supercomputers (Guillermo Oyarzun, Iason A. Chalmoukis, Georgios A. Leftheriotis and Athanassios A. Dimas), In Applied Mathematical Modelling, volume 85, 2020. |
[41] | Structure and Conformation of a Crystalline P3HT Film Adsorbed on an Alkanethiol Self‐Assembled Monolayer Deposited on Gold (E. N. Skountzos, F. von Wrochem, V. G. Mavrantzas), In Macromolecular Theory and Simulations, volume 29, 2020. |
[40] | Conformation and Diffusivity of Ring and Linear Polyethylene Oxide in Aqueous Solution: Molecular Topology Dependent Concentration Effects and Comparison with Experimental Data (D. G. Tsalikis, T. S. Alexiou, P. V. Alatas, V. G. Mavrantzas), In Macromolecular Theory and Simulations, volume 29, 2020. |
[39] | A GPU-based algorithm for efficient LES of high Reynolds number flows in heterogeneous CPU/GPU supercomputers (Oyarzun G., Chalmoukis I. A., Leftheriotis G. A., Dimas A. A.), In Applied Mathematical Modelling, volume 85, 2020. |
[38] | An adaptation of the immersed boundary method for turbulent flows over three-dimensional coastal/fluvial beds (Athanassios Dimas, Iason Chalmoukis), In Applied Mathematical Modelling, volume 88, 2020. |
[37] | Quantitative Prediction of the Structure and Viscosity of Aqueous Micellar Solutions of Ionic Surfactants: A Combined Approach Based on Coarse-Grained MARTINI Simulations Followed by Reverse-Mapped All-Atom Molecular Dynamics Simulations (S. D. Peroukidis, D. G. Tsalikis, M. G. Noro, I. P. Stott, V. G. Mavrantzas), In J. Chem. Theory Comput., volume 16, 2020. |
[36] | Effect of pH and Molecular Length on the Structure and Dynamics of Linear and Short-Chain Branched Poly(ethylene imine) in Dilute Solution: Scaling Laws from Detailed Molecular Dynamics Simulations (Dimitris G. Mintis, Terpsichori S. Alexiou, Vlasis G. Mavrantzas), In J. Phys. Chem. B, volume 124, 2020. |
[35] | Effect of polymer concentration on the structure and dynamics of short poly(n,n-dimethylaminoethyl methacrylate) in aqueous solution: A combined experimental and molecular dynamics study (Mintis D. G., Dompé M., Kamperman M., Mavrantzas V. G.), In J. Phys. Chem. B, volume 124, 2020. |
[34] | Molecular Dynamics Simulation of the Diffusion Dynamics of Linear DNA Fragments in Dilute Solution with the Parmbsc1 Force Field and Comparison with Experimental Data and Theoretical Models (Terpsichori Alexiou, Dimitris Mintis, Vlasis Mavrantzas), In Macromolecules, volume 53, 2020. |
[33] | Geometric Analysis of Clusters of Free Volume Accessible to Small Penetrants and Their Connectivity in Polymer Nanocomposites Containing Carbon Nanotubes (P. G. Mermigkis, V. G. Mavrantzas), In Macromolecules, volume 53, 2020. |
[32] | Molecular Dynamics Simulation of Amorphous Poly(3-hexylthiophene) (F. D. Tsourtou, L. D. Peristeras, S. D. Peroukidis, V. G. Mavrantzas), In Macromolecules, volume 53, 2020. |
[31] | Phase Boundary and Salt Partitioning in Coacervate Complexes Formed between Poly(acrylic acid) and Poly(N,N-dimethylaminoethyl methacrylate) from Detailed Atomistic Simulations Combined with Free Energy Perturbation and Thermodynamic Integration Calculations (Dimitris Mintis, Vlasis Mavrantzas), In Macromolecules, volume 53, 2020. |
[30] | Conformational and Dynamic Properties of Short DNA Minicircles in Aqueous Solution from Atomistic Molecular Dynamics Simulations (T. S. Alexiou, P. V. Alatas, D. G. Tsalikis, V. G. Mavrantzas), In Macromolecules, volume 53, 2020. |
[29] | Size and Diffusivity of Polymer Rings in Linear Polymer Matrices: The Key Role of Threading Events (D. G. Tsalikis, V. G. Mavrantzas), In Macromolecules, volume 53, 2020. |
[28] | Large-eddy simulation of turbulent oscillatory flow over three-dimensional transient vortex ripple formations in quasi-equilibrium (Iason Chalmoukis, Athanassios Dimas, Dimokratis Grigoriadis), In Journal of Geophysical Research, volume 125, 2020. |
[27] | Wave and hydrodynamic processes in the vicinity of a rubble-mound, permeable, zero-freeboard breakwater (Koutrouveli, Th. Dimas A.A.), In Journal of Marine Science and Engineering, volume 8, 2020. |
[26] | Dynamic Heterogeneity in Ring-Linear Polymer Blends (A. F. Katsarou, A. J. Tsamopoulos, D. G. Tsalikis, V. G. Mavrantzas), In Polymers, volume 12, 2020. |
[25] | Chapter 5: Molecular dynamics simulations of graphene-based polymer nanocomposites, in Carbon-Based Smart Materials (E. N. Skountzos, V. G. Mavrantzas), Chapter in , De Gruyter, 2020. |
[24] | Quantification of DNA double-strand breaks using Geant4-DNA (Chatzipapas Konstantinos P., Papadimitroulas Panagiotis, Obeidat Mohammad, McConnell Kristen A., Kirby Neil, Loudos George, Papanikolaou Niko, Kagadis George C.), In Medical Physics, volume 46, 2019. |
[23] | Size-specific dose estimations for pediatric chest, abdomen/pelvis and head CT scans with the use of GATE (Theodora Kostou, Panagiotis Papadimitroulas, Pavlos Papaconstadopoulos, Slobodan Devic, Jan Seuntjens and George C. Kagadis), In Physica Medica, volume 65, 2019. |
[22] | Ultrafast rotational motions of supported nanoclusters probed by electron diffraction (Vasileiadis, Thomas, Skountzos, Emmanuel N., Foster, Dawn, Coleman, Shawn P., Zahn, Daniela, Krečinić, Faruk, Mavrantzas, Vlasis G., Palmer, Richard E. and Ernstorfer, Ralph), In Nanoscale Horiz., The Royal Society of Chemistry, 2019. |
[21] | Molecular dynamics simulation of α-unsubstituted oligo-thiophenes: dependence of their high-temperature liquid-crystalline phase behaviour on molecular length (Tsourtou, Flora D., Peroukidis, Stavros D. and Mavrantzas, Vlasis G.), In J. Mater. Chem. C, The Royal Society of Chemistry, volume 7, 2019. |
[20] | Insights into the morphology of multicomponent organic and inorganic aerosols from molecular dynamics simulations (Karadima, K. S., Mavrantzas, V. G. and Pandis, S. N.), In Atmospheric Chemistry and Physics, volume 19, 2019. |
[19] | Effect of pH and Molecular Length on the Structure and Dynamics of Short Poly(acrylic acid) in Dilute Solution: Detailed Molecular Dynamics Study (Mintis, Dimitris G. and Mavrantzas, Vlasis G.), In The Journal of Physical Chemistry B, volume 123, 2019. |
[18] | High Polymer Mass Densities at the Mouths of Carbon Nanotubes (CNTs) Control the Diffusion of Small Molecules through CNT-Based Polymer Nanocomposite Membranes (Mermigkis, Panagiotis G., Skountzos, Emmanuel N. and Mavrantzas, Vlasis G.), In The Journal of Physical Chemistry B, volume 123, 2019. |
[17] | Mobility Parameter and Sand Grain Size Effect on Sediment Transport Over Vortex Ripples in the Orbital Regime (Dimas, Athanassios A. and Leftheriotis, Georgios A.), In Journal of Geophysical Research: Earth Surface, volume 124, 2019. |
[16] | Wave-Height Dissipation and Undertow of Spilling Breakers over Beaches of Varying Slopes (Athanassios A. Dimas and Theofano I. Koutrouveli), In Journal of Waterway, Port, Coastal, and Ocean Engineering, volume 145, 2019. |
[15] | 3-Arm Star Pyrene-Functional PMMAs for efficient exfoliation of Graphite in Chloroform: Fabrication of Graphene-Reinforced Fibrous Veils (Gerboura, Sadra, Papadimitriou, Konstantinia, Skountzos, Emmanuel N., Polyzos, Ioannis, Pastore Carbone, Maria Giovanna, Kotrotsos, Athanasios, Mavrantzas, Vlasis George, Galiotis, Costas and Tsitsilianis, Constantinos), In Nanoscale, The Royal Society of Chemistry, 2018. |
[14] | Molecular simulation of the high temperature phase behaviour of α-unsubstituted sexithiophene (Tsourtou, Flora D., Skountzos, Emmanuel N., Peroukidis, Stavros D. and Mavrantzas, Vlasis G.), In Soft Matter, The Royal Society of Chemistry, 2018. |
[13] | Understanding the rheological behavior of polymer nanocomposites: Non-equilibrium thermodynamics modeling coupled with detailed atomistic non-equilibrium molecular dynamics simulations (Pavlos S. Stephanou, Dimitrios G. Tsalikis, Emmanuel N. Skountzos and Vlasis G. Mavrantzas), In Materials Today: Proceedings, volume 5, 2018. |
[12] | Monte Carlo Algorithm Based on Internal Bridging Moves for the Atomistic Simulation of Thiophene Oligomers and Polymers (Tsourtou, Flora D., Peroukidis, Stavros D., Peristeras, Loukas D. and Mavrantzas, Vlasis G.), In Macromolecules, volume 0, 2018. |
[11] | Scaling Laws for the Conformation and Viscosity of Ring Polymers in the Crossover Region around Me from Detailed Molecular Dynamics Simulations (Tsalikis, Dimitrios G., Alatas, Panagiotis V., Peristeras, Loukas D. and Mavrantzas, Vlasis G.), In ACS Macro Letters, volume 7, 2018. |
[10] | Mobility and settling rate of agglomerates of polydisperse nanoparticles (Anastasia Spyrogianni, Katerina S. Karadima, Eirini Goudeli, Vlasis G. Mavrantzas and Sotiris E. Pratsinis), In The Journal of Chemical Physics, volume 148, 2018. |
[9] | Pressure- and Temperature-Induced Monoclinic-to-Orthorhombic Phase Transition in Silicalite-1 (Lempesis, Nikolaos, Smatsi, Natalia, Mavrantzas, Vlasis G. and Pratsinis, Sotiris E.), In The Journal of Physical Chemistry C, 2018. |
[8] | Molecular Dynamics Study of an Atactic Poly(methyl methacrylate)-Carbon Nanotube Nanocomposite (Skountzos, Emmanuel N., Mermigkis, Panagiotis G. and Mavrantzas, Vlasis G.), In The Journal of Physical Chemistry B, American Chemical Society, 2018. |
[7] | Detailed Molecular Dynamics Simulation of the Structure and Self-Diffusion of Linear and Cyclic n-Alkanes in Melt and Blends (Alatas, Panagiotis V., Tsalikis, Dimitrios G. and Mavrantzas, Vlasis G.), In Macromolecular Theory and Simulations, volume 26, 2017. |
[6] | Microscopic Structure, Conformation, and Dynamics of Ring and Linear Poly(ethylene oxide) Melts from Detailed Atomistic Molecular Dynamics Simulations: Dependence on Chain Length and Direct Comparison with Experimental Data (Tsalikis, Dimitrios G., Koukoulas, Thanasis, Mavrantzas, Vlasis G., Pasquino, Rossana, Vlassopoulos, Dimitris, Pyckhout-Hintzen, Wim, Wischnewski, Andreas, Monkenbusch, Michael and Richter, Dieter), In Macromolecules, volume 50, 2017. |
[5] | Numerical Simulation of Wave Overtopping Over Low-Crested Breakwaters Using the Immersed Boundary Method (Koutrouveli, Theofano I. and Dimas, Athanassios A.), In , volume All Days, 2017. |
[4] | Large-Eddy Simulation of Turbulence Characteristics of Oscillatory Flow Over 3-D Vortex Ripples (Chalmoukis, Iason A. and Dimas, Athanassios A.), In , volume All Days, 2017. |
[3] | Analysis of Slow Modes in Ring Polymers: Threading of Rings Controls Long-Time Relaxation (Tsalikis, Dimitrios G., Mavrantzas, Vlasis G. and Vlassopoulos, Dimitris), In ACS Macro Letters, volume 5, 2016. |
[2] | Microscopic Dynamics and Topology of Polymer Rings Immersed in a Host Matrix of Longer Linear Polymers: Results from a Detailed Molecular Dynamics Simulation Study and Comparison with Experimental Data (Papadopoulos, George D., Tsalikis, Dimitrios G. and Mavrantzas, Vlasis G.), In Polymers, volume 8, 2016. |
[1] | Transient flow of gravity-driven viscous films over substrates with rectangular topographical features (Lampropoulos, N. K. and Dimakopoulos, Y. and Tsamopoulos, J.), In Microfluidics and Nanofluidics, volume 20, 2016. |